USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= 0.862 (180deg=0.599) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= -0.13 (180deg=-0.631) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0857 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.9 K(o=-2.9,f=-3.4!) USER MOD Single : A 60 GLN : amide:sc= -1.32! K(o=-1.3!,f=-3.6) USER MOD Single : A 62 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.5!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.9) USER MOD Single : A 79 ASN : amide:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 83 THR OG1 : rot 79:sc= 0.0464 USER MOD Single : A 87 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.0092) USER MOD Single : A 88 THR OG1 : rot -120:sc= 0.0534 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.407 K(o=0.41,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.611 4.017 7.603 1.00 0.00 N ATOM 86 CA GLU A 9 -9.964 4.573 8.779 1.00 0.00 C ATOM 87 C GLU A 9 -8.445 4.575 8.598 1.00 0.00 C ATOM 88 O GLU A 9 -7.818 3.517 8.565 1.00 0.00 O ATOM 89 CB GLU A 9 -10.365 3.804 10.040 1.00 0.00 C ATOM 90 CG GLU A 9 -9.558 2.511 10.174 1.00 0.00 C ATOM 91 CD GLU A 9 -10.207 1.562 11.184 1.00 0.00 C ATOM 92 OE1 GLU A 9 -11.296 1.044 10.858 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.598 1.377 12.260 1.00 0.00 O ATOM 0 HA GLU A 9 -10.297 5.604 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.205 4.430 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.429 3.571 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.486 2.021 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.541 2.744 10.490 1.00 0.00 H new ATOM 100 N LEU A 10 -7.896 5.776 8.486 1.00 0.00 N ATOM 101 CA LEU A 10 -6.462 5.930 8.309 1.00 0.00 C ATOM 102 C LEU A 10 -5.820 6.266 9.657 1.00 0.00 C ATOM 103 O LEU A 10 -6.016 7.358 10.187 1.00 0.00 O ATOM 104 CB LEU A 10 -6.164 6.956 7.214 1.00 0.00 C ATOM 105 CG LEU A 10 -6.914 6.763 5.893 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.511 7.831 4.874 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.713 5.347 5.350 1.00 0.00 C ATOM 0 H LEU A 10 -8.419 6.651 8.514 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.018 4.995 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.397 7.948 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.094 6.938 7.008 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.980 6.885 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.058 7.672 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.748 8.819 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.440 7.764 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.256 5.237 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.651 5.171 5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.088 4.623 6.073 1.00 0.00 H new ATOM 119 N PHE A 11 -5.066 5.306 10.172 1.00 0.00 N ATOM 120 CA PHE A 11 -4.393 5.486 11.448 1.00 0.00 C ATOM 121 C PHE A 11 -2.894 5.208 11.321 1.00 0.00 C ATOM 122 O PHE A 11 -2.491 4.227 10.698 1.00 0.00 O ATOM 123 CB PHE A 11 -5.006 4.479 12.422 1.00 0.00 C ATOM 124 CG PHE A 11 -5.143 3.065 11.853 1.00 0.00 C ATOM 125 CD1 PHE A 11 -6.120 2.789 10.947 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.288 2.086 12.252 1.00 0.00 C ATOM 127 CE1 PHE A 11 -6.247 1.477 10.419 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.415 0.774 11.723 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.392 0.497 10.818 1.00 0.00 C ATOM 0 H PHE A 11 -4.906 4.401 9.729 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.517 6.513 11.793 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.392 4.439 13.322 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.991 4.835 12.724 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.798 3.567 10.630 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.513 2.306 12.971 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.023 1.257 9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.736 -0.004 12.039 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.489 -0.501 10.416 1.00 0.00 H new ATOM 139 N PRO A 12 -2.088 6.112 11.939 1.00 0.00 N ATOM 140 CA PRO A 12 -0.642 5.974 11.901 1.00 0.00 C ATOM 141 C PRO A 12 -0.173 4.862 12.841 1.00 0.00 C ATOM 142 O PRO A 12 -0.523 4.852 14.020 1.00 0.00 O ATOM 143 CB PRO A 12 -0.106 7.343 12.286 1.00 0.00 C ATOM 144 CG PRO A 12 -1.255 8.063 12.973 1.00 0.00 C ATOM 145 CD PRO A 12 -2.529 7.286 12.686 1.00 0.00 C ATOM 0 HA PRO A 12 -0.273 5.679 10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.752 7.253 12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.229 7.893 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.079 8.125 14.047 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.340 9.085 12.604 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.035 7.001 13.608 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.234 7.882 12.107 1.00 0.00 H new ATOM 153 N VAL A 13 0.613 3.952 12.284 1.00 0.00 N ATOM 154 CA VAL A 13 1.134 2.838 13.058 1.00 0.00 C ATOM 155 C VAL A 13 2.661 2.914 13.088 1.00 0.00 C ATOM 156 O VAL A 13 3.306 2.947 12.041 1.00 0.00 O ATOM 157 CB VAL A 13 0.611 1.517 12.490 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.415 0.332 13.031 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.881 1.346 12.782 1.00 0.00 C ATOM 0 H VAL A 13 0.902 3.964 11.306 1.00 0.00 H new ATOM 0 HA VAL A 13 0.786 2.893 14.090 1.00 0.00 H new ATOM 0 HB VAL A 13 0.739 1.544 11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.023 -0.595 12.612 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.462 0.444 12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.333 0.302 14.117 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.227 0.399 12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.044 1.351 13.860 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.437 2.166 12.327 1.00 0.00 H new ATOM 169 N GLU A 14 3.197 2.938 14.300 1.00 0.00 N ATOM 170 CA GLU A 14 4.637 3.009 14.480 1.00 0.00 C ATOM 171 C GLU A 14 5.253 1.612 14.388 1.00 0.00 C ATOM 172 O GLU A 14 4.650 0.633 14.827 1.00 0.00 O ATOM 173 CB GLU A 14 4.991 3.677 15.811 1.00 0.00 C ATOM 174 CG GLU A 14 4.659 5.170 15.780 1.00 0.00 C ATOM 175 CD GLU A 14 4.003 5.614 17.089 1.00 0.00 C ATOM 176 OE1 GLU A 14 2.757 5.535 17.155 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.763 6.021 17.995 1.00 0.00 O ATOM 0 H GLU A 14 2.660 2.910 15.167 1.00 0.00 H new ATOM 0 HA GLU A 14 5.053 3.622 13.681 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.443 3.196 16.621 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.052 3.541 16.019 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.570 5.745 15.612 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.991 5.380 14.945 1.00 0.00 H new ATOM 184 N LEU A 15 6.446 1.563 13.814 1.00 0.00 N ATOM 185 CA LEU A 15 7.150 0.301 13.658 1.00 0.00 C ATOM 186 C LEU A 15 8.656 0.545 13.778 1.00 0.00 C ATOM 187 O LEU A 15 9.175 1.523 13.242 1.00 0.00 O ATOM 188 CB LEU A 15 6.740 -0.384 12.352 1.00 0.00 C ATOM 189 CG LEU A 15 5.656 -1.456 12.470 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.446 -2.173 11.135 1.00 0.00 C ATOM 191 CD2 LEU A 15 5.973 -2.435 13.602 1.00 0.00 C ATOM 0 H LEU A 15 6.943 2.376 13.451 1.00 0.00 H new ATOM 0 HA LEU A 15 6.874 -0.391 14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.393 0.381 11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.626 -0.839 11.909 1.00 0.00 H new ATOM 0 HG LEU A 15 4.717 -0.964 12.723 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.670 -2.930 11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.142 -1.450 10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.377 -2.650 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.186 -3.187 13.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.927 -2.924 13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.032 -1.893 14.546 1.00 0.00 H new ATOM 203 N GLU A 16 9.315 -0.362 14.484 1.00 0.00 N ATOM 204 CA GLU A 16 10.751 -0.258 14.681 1.00 0.00 C ATOM 205 C GLU A 16 11.480 -1.307 13.838 1.00 0.00 C ATOM 206 O GLU A 16 11.331 -2.506 14.067 1.00 0.00 O ATOM 207 CB GLU A 16 11.113 -0.397 16.161 1.00 0.00 C ATOM 208 CG GLU A 16 11.552 0.946 16.746 1.00 0.00 C ATOM 209 CD GLU A 16 12.490 0.744 17.939 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.566 0.147 17.720 1.00 0.00 O ATOM 211 OE2 GLU A 16 12.109 1.192 19.042 1.00 0.00 O ATOM 0 H GLU A 16 8.881 -1.172 14.927 1.00 0.00 H new ATOM 0 HA GLU A 16 11.072 0.731 14.353 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.254 -0.776 16.715 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.914 -1.127 16.276 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.055 1.534 15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.676 1.514 17.059 1.00 0.00 H new ATOM 218 N LYS A 17 12.253 -0.816 12.880 1.00 0.00 N ATOM 219 CA LYS A 17 13.005 -1.696 12.001 1.00 0.00 C ATOM 220 C LYS A 17 13.603 -2.840 12.822 1.00 0.00 C ATOM 221 O LYS A 17 13.940 -2.659 13.991 1.00 0.00 O ATOM 222 CB LYS A 17 14.043 -0.900 11.208 1.00 0.00 C ATOM 223 CG LYS A 17 13.419 -0.280 9.956 1.00 0.00 C ATOM 224 CD LYS A 17 14.500 0.202 8.986 1.00 0.00 C ATOM 225 CE LYS A 17 14.132 -0.140 7.541 1.00 0.00 C ATOM 226 NZ LYS A 17 15.152 0.386 6.607 1.00 0.00 N ATOM 0 H LYS A 17 12.375 0.179 12.693 1.00 0.00 H new ATOM 0 HA LYS A 17 12.347 -2.147 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.462 -0.115 11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.867 -1.554 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.782 -1.013 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.781 0.557 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.630 1.280 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.454 -0.259 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.049 -1.221 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.157 0.282 7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.087 -0.121 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.987 1.401 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.099 0.248 7.014 1.00 0.00 H new ATOM 240 N ASP A 18 13.715 -3.992 12.178 1.00 0.00 N ATOM 241 CA ASP A 18 14.267 -5.166 12.834 1.00 0.00 C ATOM 242 C ASP A 18 15.568 -5.570 12.138 1.00 0.00 C ATOM 243 O ASP A 18 15.948 -4.974 11.131 1.00 0.00 O ATOM 244 CB ASP A 18 13.299 -6.348 12.752 1.00 0.00 C ATOM 245 CG ASP A 18 11.829 -5.969 12.562 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.421 -4.957 13.171 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.147 -6.700 11.812 1.00 0.00 O ATOM 0 H ASP A 18 13.433 -4.138 11.209 1.00 0.00 H new ATOM 0 HA ASP A 18 14.444 -4.916 13.880 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.603 -6.990 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.391 -6.938 13.664 1.00 0.00 H new ATOM 252 N GLU A 19 16.214 -6.580 12.701 1.00 0.00 N ATOM 253 CA GLU A 19 17.464 -7.071 12.147 1.00 0.00 C ATOM 254 C GLU A 19 17.330 -7.280 10.637 1.00 0.00 C ATOM 255 O GLU A 19 18.325 -7.265 9.914 1.00 0.00 O ATOM 256 CB GLU A 19 17.903 -8.361 12.842 1.00 0.00 C ATOM 257 CG GLU A 19 17.018 -9.537 12.426 1.00 0.00 C ATOM 258 CD GLU A 19 17.185 -10.716 13.386 1.00 0.00 C ATOM 259 OE1 GLU A 19 16.821 -10.541 14.569 1.00 0.00 O ATOM 260 OE2 GLU A 19 17.673 -11.766 12.915 1.00 0.00 O ATOM 0 H GLU A 19 15.895 -7.072 13.536 1.00 0.00 H new ATOM 0 HA GLU A 19 18.236 -6.322 12.323 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.942 -8.577 12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.855 -8.230 13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.974 -9.223 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.274 -9.849 11.413 1.00 0.00 H new ATOM 267 N ASP A 20 16.092 -7.469 10.206 1.00 0.00 N ATOM 268 CA ASP A 20 15.815 -7.681 8.796 1.00 0.00 C ATOM 269 C ASP A 20 15.189 -6.414 8.208 1.00 0.00 C ATOM 270 O ASP A 20 15.241 -6.196 6.998 1.00 0.00 O ATOM 271 CB ASP A 20 14.828 -8.832 8.595 1.00 0.00 C ATOM 272 CG ASP A 20 14.270 -8.967 7.177 1.00 0.00 C ATOM 273 OD1 ASP A 20 13.574 -8.021 6.749 1.00 0.00 O ATOM 274 OD2 ASP A 20 14.554 -10.012 6.552 1.00 0.00 O ATOM 0 H ASP A 20 15.269 -7.480 10.809 1.00 0.00 H new ATOM 0 HA ASP A 20 16.755 -7.922 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.322 -9.765 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.995 -8.701 9.286 1.00 0.00 H new ATOM 279 N GLY A 21 14.613 -5.612 9.091 1.00 0.00 N ATOM 280 CA GLY A 21 13.978 -4.373 8.674 1.00 0.00 C ATOM 281 C GLY A 21 12.501 -4.353 9.073 1.00 0.00 C ATOM 282 O GLY A 21 12.149 -4.745 10.185 1.00 0.00 O ATOM 0 H GLY A 21 14.573 -5.796 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.492 -3.526 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.068 -4.260 7.594 1.00 0.00 H new ATOM 286 N LEU A 22 11.677 -3.891 8.144 1.00 0.00 N ATOM 287 CA LEU A 22 10.246 -3.814 8.385 1.00 0.00 C ATOM 288 C LEU A 22 9.710 -5.212 8.697 1.00 0.00 C ATOM 289 O LEU A 22 9.122 -5.434 9.754 1.00 0.00 O ATOM 290 CB LEU A 22 9.541 -3.132 7.211 1.00 0.00 C ATOM 291 CG LEU A 22 9.976 -1.696 6.910 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.241 -1.146 5.686 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.796 -0.800 8.137 1.00 0.00 C ATOM 0 H LEU A 22 11.973 -3.566 7.223 1.00 0.00 H new ATOM 0 HA LEU A 22 10.039 -3.192 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.702 -3.734 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.469 -3.132 7.407 1.00 0.00 H new ATOM 0 HG LEU A 22 11.039 -1.704 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.568 -0.124 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.463 -1.767 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.167 -1.154 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.112 0.215 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.747 -0.793 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.401 -1.183 8.959 1.00 0.00 H new ATOM 305 N GLY A 23 9.931 -6.119 7.756 1.00 0.00 N ATOM 306 CA GLY A 23 9.477 -7.490 7.917 1.00 0.00 C ATOM 307 C GLY A 23 8.022 -7.642 7.469 1.00 0.00 C ATOM 308 O GLY A 23 7.195 -8.177 8.205 1.00 0.00 O ATOM 0 H GLY A 23 10.418 -5.931 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.112 -8.158 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.573 -7.788 8.961 1.00 0.00 H new ATOM 312 N ILE A 24 7.754 -7.161 6.264 1.00 0.00 N ATOM 313 CA ILE A 24 6.414 -7.237 5.709 1.00 0.00 C ATOM 314 C ILE A 24 6.500 -7.278 4.182 1.00 0.00 C ATOM 315 O ILE A 24 7.533 -6.941 3.605 1.00 0.00 O ATOM 316 CB ILE A 24 5.547 -6.096 6.245 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.390 -4.849 6.520 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.759 -6.539 7.479 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.514 -3.595 6.570 1.00 0.00 C ATOM 0 H ILE A 24 8.443 -6.717 5.656 1.00 0.00 H new ATOM 0 HA ILE A 24 5.922 -8.157 6.026 1.00 0.00 H new ATOM 0 HB ILE A 24 4.820 -5.830 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.920 -4.965 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.146 -4.738 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.151 -5.709 7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.112 -7.376 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.452 -6.848 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.138 -2.723 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.005 -3.469 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.775 -3.699 7.364 1.00 0.00 H new ATOM 331 N SER A 25 5.401 -7.694 3.569 1.00 0.00 N ATOM 332 CA SER A 25 5.340 -7.784 2.121 1.00 0.00 C ATOM 333 C SER A 25 4.333 -6.769 1.576 1.00 0.00 C ATOM 334 O SER A 25 3.386 -6.395 2.267 1.00 0.00 O ATOM 335 CB SER A 25 4.965 -9.197 1.672 1.00 0.00 C ATOM 336 OG SER A 25 5.991 -10.141 1.966 1.00 0.00 O ATOM 0 H SER A 25 4.546 -7.972 4.050 1.00 0.00 H new ATOM 0 HA SER A 25 6.329 -7.556 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.041 -9.501 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.769 -9.197 0.600 1.00 0.00 H new ATOM 0 HG SER A 25 5.712 -11.031 1.665 1.00 0.00 H new ATOM 342 N ILE A 26 4.571 -6.352 0.341 1.00 0.00 N ATOM 343 CA ILE A 26 3.696 -5.387 -0.305 1.00 0.00 C ATOM 344 C ILE A 26 3.311 -5.904 -1.693 1.00 0.00 C ATOM 345 O ILE A 26 4.008 -6.742 -2.262 1.00 0.00 O ATOM 346 CB ILE A 26 4.346 -4.002 -0.322 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.653 -4.020 -1.116 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.545 -3.472 1.099 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.801 -2.751 -1.958 1.00 0.00 C ATOM 0 H ILE A 26 5.357 -6.664 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 26 2.771 -5.272 0.260 1.00 0.00 H new ATOM 0 HB ILE A 26 3.670 -3.314 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.497 -4.107 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.677 -4.896 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.009 -2.486 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.579 -3.398 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.189 -4.153 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.739 -2.790 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.968 -2.679 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.802 -1.879 -1.304 1.00 0.00 H new ATOM 361 N ILE A 27 2.202 -5.382 -2.197 1.00 0.00 N ATOM 362 CA ILE A 27 1.717 -5.779 -3.507 1.00 0.00 C ATOM 363 C ILE A 27 1.213 -4.544 -4.256 1.00 0.00 C ATOM 364 O ILE A 27 0.546 -3.690 -3.674 1.00 0.00 O ATOM 365 CB ILE A 27 0.671 -6.888 -3.377 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.283 -6.886 -4.573 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.078 -6.782 -2.047 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.905 -8.269 -4.781 1.00 0.00 C ATOM 0 H ILE A 27 1.626 -4.688 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 27 2.527 -6.203 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 27 1.189 -7.847 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.070 -6.149 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.256 -6.587 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.815 -7.582 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.630 -6.871 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.583 -5.818 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.579 -8.240 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.116 -8.999 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.463 -8.555 -3.889 1.00 0.00 H new ATOM 380 N GLY A 28 1.552 -4.488 -5.536 1.00 0.00 N ATOM 381 CA GLY A 28 1.142 -3.372 -6.370 1.00 0.00 C ATOM 382 C GLY A 28 -0.147 -3.697 -7.128 1.00 0.00 C ATOM 383 O GLY A 28 -0.155 -4.560 -8.004 1.00 0.00 O ATOM 0 H GLY A 28 2.106 -5.198 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.991 -2.488 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.935 -3.133 -7.079 1.00 0.00 H new ATOM 387 N MET A 29 -1.205 -2.989 -6.762 1.00 0.00 N ATOM 388 CA MET A 29 -2.497 -3.191 -7.395 1.00 0.00 C ATOM 389 C MET A 29 -3.114 -1.858 -7.821 1.00 0.00 C ATOM 390 O MET A 29 -2.700 -0.800 -7.349 1.00 0.00 O ATOM 391 CB MET A 29 -3.438 -3.902 -6.421 1.00 0.00 C ATOM 392 CG MET A 29 -2.788 -5.166 -5.854 1.00 0.00 C ATOM 393 SD MET A 29 -3.508 -6.614 -6.609 1.00 0.00 S ATOM 394 CE MET A 29 -4.475 -7.229 -5.241 1.00 0.00 C ATOM 0 H MET A 29 -1.194 -2.274 -6.035 1.00 0.00 H new ATOM 0 HA MET A 29 -2.352 -3.803 -8.285 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.701 -3.227 -5.606 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.365 -4.163 -6.931 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.714 -5.146 -6.038 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.926 -5.202 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.995 -8.138 -5.543 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.817 -7.449 -4.400 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.205 -6.476 -4.943 1.00 0.00 H new ATOM 404 N GLY A 30 -4.094 -1.952 -8.708 1.00 0.00 N ATOM 405 CA GLY A 30 -4.772 -0.766 -9.202 1.00 0.00 C ATOM 406 C GLY A 30 -6.150 -0.612 -8.555 1.00 0.00 C ATOM 407 O GLY A 30 -7.024 -1.458 -8.740 1.00 0.00 O ATOM 0 H GLY A 30 -4.434 -2.831 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.167 0.116 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.880 -0.829 -10.285 1.00 0.00 H new ATOM 411 N VAL A 31 -6.301 0.473 -7.810 1.00 0.00 N ATOM 412 CA VAL A 31 -7.558 0.748 -7.135 1.00 0.00 C ATOM 413 C VAL A 31 -8.370 1.744 -7.964 1.00 0.00 C ATOM 414 O VAL A 31 -7.815 2.686 -8.527 1.00 0.00 O ATOM 415 CB VAL A 31 -7.290 1.234 -5.709 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.452 0.875 -4.780 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.969 0.674 -5.177 1.00 0.00 C ATOM 0 H VAL A 31 -5.574 1.172 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.152 -0.162 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.206 2.320 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.236 1.232 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.366 1.344 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.582 -0.207 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.803 1.035 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.011 -0.415 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.150 1.003 -5.817 1.00 0.00 H new ATOM 492 N GLU A 38 -6.618 6.078 -12.439 1.00 0.00 N ATOM 493 CA GLU A 38 -6.294 4.926 -11.615 1.00 0.00 C ATOM 494 C GLU A 38 -5.308 5.322 -10.514 1.00 0.00 C ATOM 495 O GLU A 38 -4.414 6.137 -10.739 1.00 0.00 O ATOM 496 CB GLU A 38 -5.735 3.783 -12.465 1.00 0.00 C ATOM 497 CG GLU A 38 -4.408 4.181 -13.114 1.00 0.00 C ATOM 498 CD GLU A 38 -3.873 3.054 -14.001 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.297 3.007 -15.176 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.052 2.267 -13.484 1.00 0.00 O ATOM 0 HA GLU A 38 -7.211 4.571 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.589 2.900 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.455 3.513 -13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.546 5.083 -13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.677 4.418 -12.341 1.00 0.00 H new ATOM 507 N LYS A 39 -5.503 4.727 -9.346 1.00 0.00 N ATOM 508 CA LYS A 39 -4.643 5.008 -8.210 1.00 0.00 C ATOM 509 C LYS A 39 -4.117 3.691 -7.636 1.00 0.00 C ATOM 510 O LYS A 39 -4.803 3.031 -6.857 1.00 0.00 O ATOM 511 CB LYS A 39 -5.375 5.876 -7.185 1.00 0.00 C ATOM 512 CG LYS A 39 -5.275 7.359 -7.550 1.00 0.00 C ATOM 513 CD LYS A 39 -4.553 8.146 -6.454 1.00 0.00 C ATOM 514 CE LYS A 39 -5.096 9.573 -6.356 1.00 0.00 C ATOM 515 NZ LYS A 39 -3.991 10.535 -6.147 1.00 0.00 N ATOM 0 H LYS A 39 -6.245 4.051 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.776 5.589 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.423 5.580 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.950 5.712 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.741 7.470 -8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.274 7.769 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.676 7.640 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.484 8.173 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.638 9.825 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.807 9.642 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.377 11.499 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.491 10.303 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.328 10.481 -6.946 1.00 0.00 H new ATOM 529 N LEU A 40 -2.904 3.347 -8.044 1.00 0.00 N ATOM 530 CA LEU A 40 -2.278 2.120 -7.581 1.00 0.00 C ATOM 531 C LEU A 40 -2.273 2.102 -6.051 1.00 0.00 C ATOM 532 O LEU A 40 -1.763 3.026 -5.417 1.00 0.00 O ATOM 533 CB LEU A 40 -0.889 1.959 -8.203 1.00 0.00 C ATOM 534 CG LEU A 40 -0.476 0.530 -8.558 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.333 -0.021 -9.700 1.00 0.00 C ATOM 536 CD2 LEU A 40 1.019 0.455 -8.876 1.00 0.00 C ATOM 0 H LEU A 40 -2.338 3.897 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.851 1.252 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.846 2.564 -9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.153 2.368 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.653 -0.103 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.019 -1.038 -9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.381 -0.025 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.211 0.607 -10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.287 -0.572 -9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.244 1.104 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.592 0.779 -8.007 1.00 0.00 H new ATOM 548 N GLY A 41 -2.845 1.041 -5.501 1.00 0.00 N ATOM 549 CA GLY A 41 -2.913 0.891 -4.058 1.00 0.00 C ATOM 550 C GLY A 41 -1.876 -0.120 -3.563 1.00 0.00 C ATOM 551 O GLY A 41 -1.880 -1.275 -3.984 1.00 0.00 O ATOM 0 H GLY A 41 -3.266 0.277 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.743 1.856 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.912 0.564 -3.769 1.00 0.00 H new ATOM 555 N ILE A 42 -1.012 0.353 -2.676 1.00 0.00 N ATOM 556 CA ILE A 42 0.028 -0.494 -2.119 1.00 0.00 C ATOM 557 C ILE A 42 -0.542 -1.288 -0.942 1.00 0.00 C ATOM 558 O ILE A 42 -0.668 -0.763 0.163 1.00 0.00 O ATOM 559 CB ILE A 42 1.262 0.337 -1.760 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.650 1.267 -2.911 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.424 -0.562 -1.333 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.003 0.468 -4.167 1.00 0.00 C ATOM 0 H ILE A 42 -1.012 1.312 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 42 0.365 -1.219 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 42 1.013 0.967 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.826 1.946 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.500 1.882 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.288 0.054 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.131 -1.146 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.682 -1.235 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.275 1.153 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.843 -0.193 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.143 -0.127 -4.474 1.00 0.00 H new ATOM 574 N PHE A 43 -0.872 -2.541 -1.219 1.00 0.00 N ATOM 575 CA PHE A 43 -1.426 -3.413 -0.197 1.00 0.00 C ATOM 576 C PHE A 43 -0.363 -4.374 0.338 1.00 0.00 C ATOM 577 O PHE A 43 0.681 -4.560 -0.284 1.00 0.00 O ATOM 578 CB PHE A 43 -2.543 -4.223 -0.858 1.00 0.00 C ATOM 579 CG PHE A 43 -3.657 -3.368 -1.464 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.701 -2.964 -0.691 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.604 -3.011 -2.775 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.736 -2.170 -1.254 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.638 -2.217 -3.338 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.682 -1.813 -2.565 1.00 0.00 C ATOM 0 H PHE A 43 -0.766 -2.973 -2.137 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.795 -2.819 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.111 -4.847 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.977 -4.895 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.743 -3.247 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.775 -3.332 -3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.565 -1.850 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.596 -1.934 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.468 -1.209 -2.993 1.00 0.00 H new ATOM 594 N VAL A 44 -0.666 -4.960 1.488 1.00 0.00 N ATOM 595 CA VAL A 44 0.250 -5.898 2.114 1.00 0.00 C ATOM 596 C VAL A 44 -0.113 -7.321 1.688 1.00 0.00 C ATOM 597 O VAL A 44 -1.168 -7.834 2.059 1.00 0.00 O ATOM 598 CB VAL A 44 0.238 -5.706 3.632 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.946 -6.865 4.337 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.862 -4.365 4.021 1.00 0.00 C ATOM 0 H VAL A 44 -1.533 -4.803 2.002 1.00 0.00 H new ATOM 0 HA VAL A 44 1.272 -5.712 1.784 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.802 -5.699 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.923 -6.704 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.439 -7.800 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.981 -6.918 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.840 -4.255 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.894 -4.330 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.296 -3.554 3.562 1.00 0.00 H new ATOM 610 N LYS A 45 0.781 -7.920 0.914 1.00 0.00 N ATOM 611 CA LYS A 45 0.567 -9.274 0.434 1.00 0.00 C ATOM 612 C LYS A 45 0.522 -10.233 1.626 1.00 0.00 C ATOM 613 O LYS A 45 -0.299 -11.148 1.660 1.00 0.00 O ATOM 614 CB LYS A 45 1.620 -9.644 -0.613 1.00 0.00 C ATOM 615 CG LYS A 45 1.552 -11.133 -0.957 1.00 0.00 C ATOM 616 CD LYS A 45 0.313 -11.445 -1.799 1.00 0.00 C ATOM 617 CE LYS A 45 0.433 -12.818 -2.462 1.00 0.00 C ATOM 618 NZ LYS A 45 1.549 -12.828 -3.435 1.00 0.00 N ATOM 0 H LYS A 45 1.655 -7.492 0.608 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.395 -9.350 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.465 -9.051 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.613 -9.399 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.450 -11.425 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.530 -11.721 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.576 -11.418 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.185 -10.678 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.598 -13.582 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.500 -13.067 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.375 -13.558 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.617 -11.898 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.440 -13.036 -2.940 1.00 0.00 H new ATOM 632 N THR A 46 1.415 -9.989 2.574 1.00 0.00 N ATOM 633 CA THR A 46 1.488 -10.819 3.764 1.00 0.00 C ATOM 634 C THR A 46 2.429 -10.193 4.795 1.00 0.00 C ATOM 635 O THR A 46 3.001 -9.130 4.553 1.00 0.00 O ATOM 636 CB THR A 46 1.908 -12.227 3.334 1.00 0.00 C ATOM 637 OG1 THR A 46 1.958 -12.962 4.554 1.00 0.00 O ATOM 638 CG2 THR A 46 3.345 -12.275 2.811 1.00 0.00 C ATOM 0 H THR A 46 2.094 -9.228 2.542 1.00 0.00 H new ATOM 0 HA THR A 46 0.518 -10.889 4.256 1.00 0.00 H new ATOM 0 HB THR A 46 1.229 -12.589 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.221 -13.888 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.592 -13.296 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.440 -11.618 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.028 -11.945 3.594 1.00 0.00 H new ATOM 646 N VAL A 47 2.561 -10.877 5.921 1.00 0.00 N ATOM 647 CA VAL A 47 3.424 -10.401 6.990 1.00 0.00 C ATOM 648 C VAL A 47 4.387 -11.517 7.398 1.00 0.00 C ATOM 649 O VAL A 47 3.970 -12.653 7.616 1.00 0.00 O ATOM 650 CB VAL A 47 2.577 -9.886 8.155 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.460 -9.480 9.337 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.683 -8.725 7.714 1.00 0.00 C ATOM 0 H VAL A 47 2.085 -11.758 6.117 1.00 0.00 H new ATOM 0 HA VAL A 47 4.028 -9.561 6.648 1.00 0.00 H new ATOM 0 HB VAL A 47 1.930 -10.700 8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.833 -9.117 10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.033 -10.343 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.144 -8.690 9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.092 -8.379 8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.303 -7.908 7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.016 -9.061 6.920 1.00 0.00 H new ATOM 662 N THR A 48 5.658 -11.154 7.488 1.00 0.00 N ATOM 663 CA THR A 48 6.684 -12.111 7.866 1.00 0.00 C ATOM 664 C THR A 48 6.447 -12.612 9.292 1.00 0.00 C ATOM 665 O THR A 48 6.108 -11.831 10.180 1.00 0.00 O ATOM 666 CB THR A 48 8.047 -11.442 7.676 1.00 0.00 C ATOM 667 OG1 THR A 48 8.367 -11.687 6.310 1.00 0.00 O ATOM 668 CG2 THR A 48 9.160 -12.150 8.452 1.00 0.00 C ATOM 0 H THR A 48 6.001 -10.211 7.306 1.00 0.00 H new ATOM 0 HA THR A 48 6.650 -12.998 7.234 1.00 0.00 H new ATOM 0 HB THR A 48 7.988 -10.401 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.236 -11.285 6.100 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.106 -11.635 8.283 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.926 -12.138 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.242 -13.182 8.110 1.00 0.00 H new ATOM 676 N GLU A 49 6.635 -13.912 9.467 1.00 0.00 N ATOM 677 CA GLU A 49 6.445 -14.527 10.770 1.00 0.00 C ATOM 678 C GLU A 49 7.630 -14.209 11.684 1.00 0.00 C ATOM 679 O GLU A 49 8.695 -14.811 11.559 1.00 0.00 O ATOM 680 CB GLU A 49 6.244 -16.038 10.639 1.00 0.00 C ATOM 681 CG GLU A 49 5.647 -16.624 11.920 1.00 0.00 C ATOM 682 CD GLU A 49 5.353 -18.117 11.755 1.00 0.00 C ATOM 683 OE1 GLU A 49 6.294 -18.909 11.979 1.00 0.00 O ATOM 684 OE2 GLU A 49 4.194 -18.432 11.408 1.00 0.00 O ATOM 0 H GLU A 49 6.917 -14.556 8.728 1.00 0.00 H new ATOM 0 HA GLU A 49 5.543 -14.111 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.585 -16.249 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.199 -16.518 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.339 -16.475 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.728 -16.095 12.173 1.00 0.00 H new ATOM 691 N GLY A 50 7.404 -13.262 12.584 1.00 0.00 N ATOM 692 CA GLY A 50 8.440 -12.857 13.519 1.00 0.00 C ATOM 693 C GLY A 50 9.110 -11.558 13.065 1.00 0.00 C ATOM 694 O GLY A 50 10.294 -11.344 13.323 1.00 0.00 O ATOM 0 H GLY A 50 6.519 -12.764 12.685 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.007 -12.720 14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.187 -13.646 13.603 1.00 0.00 H new ATOM 698 N GLY A 51 8.325 -10.726 12.398 1.00 0.00 N ATOM 699 CA GLY A 51 8.828 -9.455 11.906 1.00 0.00 C ATOM 700 C GLY A 51 8.452 -8.313 12.853 1.00 0.00 C ATOM 701 O GLY A 51 8.185 -8.542 14.032 1.00 0.00 O ATOM 0 H GLY A 51 7.344 -10.907 12.186 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.912 -9.504 11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.422 -9.258 10.914 1.00 0.00 H new ATOM 705 N ALA A 52 8.443 -7.108 12.302 1.00 0.00 N ATOM 706 CA ALA A 52 8.104 -5.931 13.083 1.00 0.00 C ATOM 707 C ALA A 52 6.592 -5.702 13.023 1.00 0.00 C ATOM 708 O ALA A 52 5.951 -5.495 14.052 1.00 0.00 O ATOM 709 CB ALA A 52 8.896 -4.729 12.565 1.00 0.00 C ATOM 0 H ALA A 52 8.665 -6.922 11.324 1.00 0.00 H new ATOM 0 HA ALA A 52 8.375 -6.074 14.129 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.642 -3.846 13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.963 -4.930 12.656 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.648 -4.554 11.518 1.00 0.00 H new ATOM 715 N ALA A 53 6.067 -5.747 11.808 1.00 0.00 N ATOM 716 CA ALA A 53 4.642 -5.547 11.601 1.00 0.00 C ATOM 717 C ALA A 53 3.871 -6.702 12.243 1.00 0.00 C ATOM 718 O ALA A 53 2.760 -6.513 12.735 1.00 0.00 O ATOM 719 CB ALA A 53 4.358 -5.417 10.103 1.00 0.00 C ATOM 0 H ALA A 53 6.602 -5.919 10.957 1.00 0.00 H new ATOM 0 HA ALA A 53 4.310 -4.624 12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.290 -5.267 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.907 -4.565 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.675 -6.326 9.592 1.00 0.00 H new ATOM 725 N GLN A 54 4.491 -7.873 12.217 1.00 0.00 N ATOM 726 CA GLN A 54 3.877 -9.058 12.790 1.00 0.00 C ATOM 727 C GLN A 54 3.899 -8.981 14.318 1.00 0.00 C ATOM 728 O GLN A 54 2.849 -8.900 14.954 1.00 0.00 O ATOM 729 CB GLN A 54 4.571 -10.329 12.296 1.00 0.00 C ATOM 730 CG GLN A 54 3.562 -11.461 12.095 1.00 0.00 C ATOM 731 CD GLN A 54 3.834 -12.615 13.062 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.961 -13.766 12.677 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.914 -12.245 14.337 1.00 0.00 N ATOM 0 H GLN A 54 5.413 -8.026 11.808 1.00 0.00 H new ATOM 0 HA GLN A 54 2.838 -9.099 12.462 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.086 -10.125 11.357 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.330 -10.637 13.016 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.551 -11.084 12.249 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.615 -11.822 11.068 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.798 -11.264 14.592 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.091 -12.942 15.060 1.00 0.00 H new ATOM 742 N ARG A 55 5.106 -9.008 14.863 1.00 0.00 N ATOM 743 CA ARG A 55 5.278 -8.942 16.304 1.00 0.00 C ATOM 744 C ARG A 55 4.304 -7.929 16.910 1.00 0.00 C ATOM 745 O ARG A 55 3.610 -8.233 17.878 1.00 0.00 O ATOM 746 CB ARG A 55 6.710 -8.545 16.671 1.00 0.00 C ATOM 747 CG ARG A 55 7.643 -9.756 16.626 1.00 0.00 C ATOM 748 CD ARG A 55 9.017 -9.411 17.205 1.00 0.00 C ATOM 749 NE ARG A 55 9.754 -8.533 16.270 1.00 0.00 N ATOM 750 CZ ARG A 55 11.056 -8.237 16.386 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.772 -8.747 17.397 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.642 -7.430 15.491 1.00 0.00 N ATOM 0 H ARG A 55 5.975 -9.075 14.332 1.00 0.00 H new ATOM 0 HA ARG A 55 5.073 -9.934 16.707 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.067 -7.780 15.981 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.725 -8.107 17.669 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.203 -10.579 17.189 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.753 -10.097 15.596 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.901 -8.914 18.168 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.585 -10.324 17.384 1.00 0.00 H new ATOM 0 HE ARG A 55 9.239 -8.128 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.326 -9.361 18.079 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.763 -8.521 17.485 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.097 -7.041 14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.633 -7.205 15.579 1.00 0.00 H new ATOM 766 N ASP A 56 4.284 -6.746 16.313 1.00 0.00 N ATOM 767 CA ASP A 56 3.407 -5.687 16.781 1.00 0.00 C ATOM 768 C ASP A 56 1.971 -6.211 16.844 1.00 0.00 C ATOM 769 O ASP A 56 1.326 -6.141 17.889 1.00 0.00 O ATOM 770 CB ASP A 56 3.433 -4.490 15.829 1.00 0.00 C ATOM 771 CG ASP A 56 2.921 -3.177 16.426 1.00 0.00 C ATOM 772 OD1 ASP A 56 1.806 -3.207 16.991 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.657 -2.174 16.305 1.00 0.00 O ATOM 0 H ASP A 56 4.861 -6.498 15.509 1.00 0.00 H new ATOM 0 HA ASP A 56 3.753 -5.372 17.765 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.457 -4.341 15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.834 -4.730 14.951 1.00 0.00 H new ATOM 778 N GLY A 57 1.511 -6.723 15.712 1.00 0.00 N ATOM 779 CA GLY A 57 0.163 -7.258 15.625 1.00 0.00 C ATOM 780 C GLY A 57 -0.821 -6.189 15.145 1.00 0.00 C ATOM 781 O GLY A 57 -2.013 -6.458 15.000 1.00 0.00 O ATOM 0 H GLY A 57 2.048 -6.779 14.847 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.148 -8.105 14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.148 -7.632 16.601 1.00 0.00 H new ATOM 785 N ARG A 58 -0.286 -5.000 14.912 1.00 0.00 N ATOM 786 CA ARG A 58 -1.102 -3.889 14.451 1.00 0.00 C ATOM 787 C ARG A 58 -1.435 -4.055 12.967 1.00 0.00 C ATOM 788 O ARG A 58 -2.588 -4.290 12.608 1.00 0.00 O ATOM 789 CB ARG A 58 -0.385 -2.554 14.660 1.00 0.00 C ATOM 790 CG ARG A 58 -1.189 -1.638 15.585 1.00 0.00 C ATOM 791 CD ARG A 58 -2.675 -1.659 15.221 1.00 0.00 C ATOM 792 NE ARG A 58 -2.835 -1.811 13.757 1.00 0.00 N ATOM 793 CZ ARG A 58 -3.979 -2.172 13.160 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.069 -2.422 13.897 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.032 -2.284 11.826 1.00 0.00 N ATOM 0 H ARG A 58 0.703 -4.781 15.034 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.022 -3.889 15.036 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.603 -2.731 15.086 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.234 -2.064 13.698 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.060 -1.956 16.620 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.808 -0.619 15.515 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.173 -2.480 15.737 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.153 -0.737 15.554 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.024 -1.630 13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.028 -2.338 14.913 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.940 -2.697 13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.202 -2.094 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.903 -2.559 11.371 1.00 0.00 H new ATOM 809 N ILE A 59 -0.404 -3.926 12.144 1.00 0.00 N ATOM 810 CA ILE A 59 -0.573 -4.059 10.707 1.00 0.00 C ATOM 811 C ILE A 59 -0.895 -5.516 10.368 1.00 0.00 C ATOM 812 O ILE A 59 -0.256 -6.432 10.881 1.00 0.00 O ATOM 813 CB ILE A 59 0.653 -3.513 9.971 1.00 0.00 C ATOM 814 CG1 ILE A 59 0.813 -2.011 10.213 1.00 0.00 C ATOM 815 CG2 ILE A 59 0.593 -3.851 8.480 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.291 -1.616 10.250 1.00 0.00 C ATOM 0 H ILE A 59 0.551 -3.731 12.445 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.416 -3.458 10.365 1.00 0.00 H new ATOM 0 HB ILE A 59 1.540 -4.000 10.376 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.304 -1.456 9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.336 -1.738 11.154 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.476 -3.452 7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.563 -4.933 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.302 -3.409 8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.377 -0.543 10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.792 -2.155 11.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.759 -1.868 9.298 1.00 0.00 H new ATOM 828 N GLN A 60 -1.887 -5.683 9.505 1.00 0.00 N ATOM 829 CA GLN A 60 -2.302 -7.013 9.092 1.00 0.00 C ATOM 830 C GLN A 60 -2.110 -7.184 7.583 1.00 0.00 C ATOM 831 O GLN A 60 -1.739 -6.238 6.890 1.00 0.00 O ATOM 832 CB GLN A 60 -3.753 -7.284 9.494 1.00 0.00 C ATOM 833 CG GLN A 60 -4.120 -6.522 10.769 1.00 0.00 C ATOM 834 CD GLN A 60 -3.454 -7.151 11.995 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.805 -8.181 11.920 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.651 -6.476 13.123 1.00 0.00 N ATOM 0 H GLN A 60 -2.415 -4.920 9.081 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.675 -7.743 9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.420 -6.988 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.897 -8.353 9.651 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.810 -5.481 10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.202 -6.522 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.205 -5.620 13.115 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.248 -6.814 13.997 1.00 0.00 H new ATOM 845 N VAL A 61 -2.372 -8.397 7.119 1.00 0.00 N ATOM 846 CA VAL A 61 -2.232 -8.703 5.706 1.00 0.00 C ATOM 847 C VAL A 61 -3.343 -7.999 4.924 1.00 0.00 C ATOM 848 O VAL A 61 -4.443 -7.805 5.439 1.00 0.00 O ATOM 849 CB VAL A 61 -2.224 -10.219 5.498 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.350 -10.569 4.014 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.968 -10.849 6.105 1.00 0.00 C ATOM 0 H VAL A 61 -2.680 -9.179 7.697 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.280 -8.330 5.327 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.090 -10.633 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.342 -11.652 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.285 -10.168 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.513 -10.137 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.987 -11.927 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.083 -10.426 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.938 -10.643 7.175 1.00 0.00 H new ATOM 861 N ASN A 62 -3.016 -7.636 3.692 1.00 0.00 N ATOM 862 CA ASN A 62 -3.972 -6.957 2.834 1.00 0.00 C ATOM 863 C ASN A 62 -4.070 -5.488 3.249 1.00 0.00 C ATOM 864 O ASN A 62 -4.869 -4.734 2.694 1.00 0.00 O ATOM 865 CB ASN A 62 -5.365 -7.578 2.961 1.00 0.00 C ATOM 866 CG ASN A 62 -5.287 -9.106 2.947 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.080 -9.734 1.921 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.464 -9.668 4.140 1.00 0.00 N ATOM 0 H ASN A 62 -2.103 -7.799 3.268 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.627 -7.052 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.834 -7.243 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.996 -7.235 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.430 -10.683 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.633 -9.084 4.959 1.00 0.00 H new ATOM 875 N ASP A 63 -3.247 -5.124 4.221 1.00 0.00 N ATOM 876 CA ASP A 63 -3.230 -3.758 4.717 1.00 0.00 C ATOM 877 C ASP A 63 -2.828 -2.813 3.582 1.00 0.00 C ATOM 878 O ASP A 63 -1.977 -3.151 2.761 1.00 0.00 O ATOM 879 CB ASP A 63 -2.216 -3.596 5.850 1.00 0.00 C ATOM 880 CG ASP A 63 -1.420 -2.289 5.823 1.00 0.00 C ATOM 881 OD1 ASP A 63 -2.047 -1.249 5.524 1.00 0.00 O ATOM 882 OD2 ASP A 63 -0.204 -2.359 6.102 1.00 0.00 O ATOM 0 H ASP A 63 -2.586 -5.752 4.679 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.227 -3.522 5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.743 -3.663 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.516 -4.431 5.813 1.00 0.00 H new ATOM 887 N GLN A 64 -3.460 -1.649 3.573 1.00 0.00 N ATOM 888 CA GLN A 64 -3.179 -0.653 2.553 1.00 0.00 C ATOM 889 C GLN A 64 -2.370 0.502 3.148 1.00 0.00 C ATOM 890 O GLN A 64 -2.920 1.355 3.844 1.00 0.00 O ATOM 891 CB GLN A 64 -4.471 -0.145 1.912 1.00 0.00 C ATOM 892 CG GLN A 64 -4.175 0.655 0.642 1.00 0.00 C ATOM 893 CD GLN A 64 -5.400 1.462 0.204 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.526 1.183 0.580 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.117 2.474 -0.610 1.00 0.00 N ATOM 0 H GLN A 64 -4.166 -1.373 4.256 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.584 -1.122 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.118 -0.989 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.012 0.480 2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.336 1.328 0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.877 -0.023 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.151 2.652 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.866 3.073 -0.959 1.00 0.00 H new ATOM 904 N ILE A 65 -1.079 0.492 2.853 1.00 0.00 N ATOM 905 CA ILE A 65 -0.190 1.529 3.349 1.00 0.00 C ATOM 906 C ILE A 65 -0.452 2.829 2.587 1.00 0.00 C ATOM 907 O ILE A 65 0.236 3.131 1.613 1.00 0.00 O ATOM 908 CB ILE A 65 1.266 1.062 3.286 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.446 -0.273 4.012 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.211 2.138 3.823 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.526 -1.122 3.339 1.00 0.00 C ATOM 0 H ILE A 65 -0.627 -0.218 2.277 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.391 1.731 4.401 1.00 0.00 H new ATOM 0 HB ILE A 65 1.526 0.898 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.717 -0.092 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.502 -0.818 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.239 1.780 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.109 3.044 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.960 2.358 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.634 -2.065 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.241 -1.322 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.474 -0.585 3.356 1.00 0.00 H new ATOM 923 N VAL A 66 -1.450 3.563 3.058 1.00 0.00 N ATOM 924 CA VAL A 66 -1.812 4.823 2.432 1.00 0.00 C ATOM 925 C VAL A 66 -0.636 5.797 2.539 1.00 0.00 C ATOM 926 O VAL A 66 -0.380 6.569 1.617 1.00 0.00 O ATOM 927 CB VAL A 66 -3.097 5.368 3.058 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.508 6.689 2.405 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.227 4.339 2.972 1.00 0.00 C ATOM 0 H VAL A 66 -2.019 3.309 3.866 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.019 4.677 1.372 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.900 5.563 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.424 7.054 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.715 7.424 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.678 6.531 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.129 4.751 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.422 4.099 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.936 3.433 3.504 1.00 0.00 H new ATOM 939 N GLU A 67 0.047 5.728 3.672 1.00 0.00 N ATOM 940 CA GLU A 67 1.189 6.593 3.912 1.00 0.00 C ATOM 941 C GLU A 67 2.243 5.863 4.745 1.00 0.00 C ATOM 942 O GLU A 67 1.927 4.909 5.455 1.00 0.00 O ATOM 943 CB GLU A 67 0.758 7.895 4.591 1.00 0.00 C ATOM 944 CG GLU A 67 1.932 8.545 5.325 1.00 0.00 C ATOM 945 CD GLU A 67 1.494 9.830 6.031 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.297 10.833 5.313 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.366 9.779 7.274 1.00 0.00 O ATOM 0 H GLU A 67 -0.169 5.086 4.434 1.00 0.00 H new ATOM 0 HA GLU A 67 1.631 6.853 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.364 8.585 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.049 7.692 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.341 7.846 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.729 8.769 4.616 1.00 0.00 H new ATOM 954 N VAL A 68 3.475 6.338 4.633 1.00 0.00 N ATOM 955 CA VAL A 68 4.578 5.742 5.367 1.00 0.00 C ATOM 956 C VAL A 68 5.540 6.843 5.817 1.00 0.00 C ATOM 957 O VAL A 68 6.117 7.545 4.987 1.00 0.00 O ATOM 958 CB VAL A 68 5.255 4.668 4.514 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.770 4.877 4.470 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.909 3.266 5.020 1.00 0.00 C ATOM 0 H VAL A 68 3.734 7.130 4.044 1.00 0.00 H new ATOM 0 HA VAL A 68 4.213 5.243 6.265 1.00 0.00 H new ATOM 0 HB VAL A 68 4.875 4.760 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.227 4.100 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.990 5.854 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.174 4.826 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.403 2.522 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.247 3.157 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.830 3.119 4.975 1.00 0.00 H new ATOM 970 N ASP A 69 5.683 6.961 7.129 1.00 0.00 N ATOM 971 CA ASP A 69 6.566 7.965 7.698 1.00 0.00 C ATOM 972 C ASP A 69 6.210 9.336 7.122 1.00 0.00 C ATOM 973 O ASP A 69 7.027 10.255 7.147 1.00 0.00 O ATOM 974 CB ASP A 69 8.027 7.672 7.355 1.00 0.00 C ATOM 975 CG ASP A 69 8.816 6.947 8.447 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.463 7.147 9.629 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.755 6.210 8.075 1.00 0.00 O ATOM 0 H ASP A 69 5.202 6.378 7.814 1.00 0.00 H new ATOM 0 HA ASP A 69 6.441 7.950 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.057 7.071 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.528 8.614 7.131 1.00 0.00 H new ATOM 982 N GLY A 70 4.989 9.431 6.615 1.00 0.00 N ATOM 983 CA GLY A 70 4.515 10.675 6.033 1.00 0.00 C ATOM 984 C GLY A 70 4.414 10.565 4.510 1.00 0.00 C ATOM 985 O GLY A 70 3.602 11.247 3.888 1.00 0.00 O ATOM 0 H GLY A 70 4.314 8.667 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.539 10.926 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.193 11.486 6.298 1.00 0.00 H new ATOM 989 N ILE A 71 5.250 9.701 3.955 1.00 0.00 N ATOM 990 CA ILE A 71 5.265 9.492 2.517 1.00 0.00 C ATOM 991 C ILE A 71 3.945 8.851 2.085 1.00 0.00 C ATOM 992 O ILE A 71 3.457 7.927 2.734 1.00 0.00 O ATOM 993 CB ILE A 71 6.501 8.690 2.105 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.778 9.508 2.307 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.369 8.178 0.669 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.016 8.698 1.916 1.00 0.00 C ATOM 0 H ILE A 71 5.922 9.137 4.475 1.00 0.00 H new ATOM 0 HA ILE A 71 5.343 10.446 1.995 1.00 0.00 H new ATOM 0 HB ILE A 71 6.573 7.816 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.730 10.417 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.855 9.817 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.261 7.611 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.493 7.534 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.259 9.023 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.910 9.303 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.074 7.802 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.947 8.412 0.866 1.00 0.00 H new ATOM 1008 N SER A 72 3.403 9.368 0.992 1.00 0.00 N ATOM 1009 CA SER A 72 2.148 8.858 0.466 1.00 0.00 C ATOM 1010 C SER A 72 2.420 7.763 -0.566 1.00 0.00 C ATOM 1011 O SER A 72 3.113 7.995 -1.555 1.00 0.00 O ATOM 1012 CB SER A 72 1.315 9.980 -0.158 1.00 0.00 C ATOM 1013 OG SER A 72 2.058 11.191 -0.281 1.00 0.00 O ATOM 0 H SER A 72 3.810 10.135 0.456 1.00 0.00 H new ATOM 0 HA SER A 72 1.577 8.436 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.965 9.668 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.430 10.158 0.453 1.00 0.00 H new ATOM 0 HG SER A 72 1.493 11.882 -0.685 1.00 0.00 H new ATOM 1019 N LEU A 73 1.860 6.592 -0.301 1.00 0.00 N ATOM 1020 CA LEU A 73 2.033 5.459 -1.195 1.00 0.00 C ATOM 1021 C LEU A 73 0.729 5.210 -1.954 1.00 0.00 C ATOM 1022 O LEU A 73 0.320 4.064 -2.134 1.00 0.00 O ATOM 1023 CB LEU A 73 2.537 4.239 -0.422 1.00 0.00 C ATOM 1024 CG LEU A 73 3.761 4.467 0.468 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.202 3.165 1.138 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.898 5.120 -0.320 1.00 0.00 C ATOM 0 H LEU A 73 1.286 6.403 0.520 1.00 0.00 H new ATOM 0 HA LEU A 73 2.799 5.675 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.724 3.867 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.775 3.453 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 73 3.481 5.159 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.073 3.355 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.390 2.779 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.458 2.431 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.755 5.271 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.185 4.473 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.565 6.082 -0.709 1.00 0.00 H new ATOM 1038 N VAL A 74 0.111 6.302 -2.380 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.138 6.217 -3.117 1.00 0.00 C ATOM 1040 C VAL A 74 -0.893 6.602 -4.577 1.00 0.00 C ATOM 1041 O VAL A 74 -0.141 7.534 -4.858 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.204 7.082 -2.441 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.495 7.102 -3.262 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.470 6.608 -1.011 1.00 0.00 C ATOM 0 H VAL A 74 0.453 7.251 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.516 5.195 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.824 8.102 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.236 7.724 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.290 7.510 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.880 6.087 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.231 7.240 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.818 5.575 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.550 6.670 -0.430 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.540 5.865 -5.467 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.401 6.118 -6.891 1.00 0.00 C ATOM 1056 C GLY A 75 0.072 6.133 -7.304 1.00 0.00 C ATOM 1057 O GLY A 75 0.493 6.984 -8.086 1.00 0.00 O ATOM 0 H GLY A 75 -2.162 5.092 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.932 5.351 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.862 7.073 -7.141 1.00 0.00 H new ATOM 1061 N VAL A 76 0.816 5.180 -6.761 1.00 0.00 N ATOM 1062 CA VAL A 76 2.233 5.073 -7.063 1.00 0.00 C ATOM 1063 C VAL A 76 2.564 3.625 -7.428 1.00 0.00 C ATOM 1064 O VAL A 76 1.920 2.696 -6.943 1.00 0.00 O ATOM 1065 CB VAL A 76 3.060 5.598 -5.888 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.556 6.968 -5.431 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.058 4.599 -4.728 1.00 0.00 C ATOM 0 H VAL A 76 0.464 4.475 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 76 2.488 5.691 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 76 4.089 5.716 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.161 7.318 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.632 7.677 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.515 6.887 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.653 4.996 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.035 4.436 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.485 3.653 -5.062 1.00 0.00 H new ATOM 1077 N THR A 77 3.568 3.478 -8.281 1.00 0.00 N ATOM 1078 CA THR A 77 3.992 2.158 -8.717 1.00 0.00 C ATOM 1079 C THR A 77 4.627 1.391 -7.555 1.00 0.00 C ATOM 1080 O THR A 77 5.368 1.965 -6.759 1.00 0.00 O ATOM 1081 CB THR A 77 4.930 2.334 -9.912 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.216 1.002 -10.329 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.294 2.899 -9.509 1.00 0.00 C ATOM 0 H THR A 77 4.100 4.251 -8.681 1.00 0.00 H new ATOM 0 HA THR A 77 3.142 1.556 -9.038 1.00 0.00 H new ATOM 0 HB THR A 77 4.465 2.996 -10.643 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.818 1.023 -11.102 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.920 3.004 -10.395 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.160 3.875 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.774 2.221 -8.803 1.00 0.00 H new ATOM 1091 N GLN A 78 4.312 0.106 -7.494 1.00 0.00 N ATOM 1092 CA GLN A 78 4.842 -0.746 -6.443 1.00 0.00 C ATOM 1093 C GLN A 78 6.290 -0.362 -6.128 1.00 0.00 C ATOM 1094 O GLN A 78 6.688 -0.328 -4.965 1.00 0.00 O ATOM 1095 CB GLN A 78 4.738 -2.223 -6.828 1.00 0.00 C ATOM 1096 CG GLN A 78 4.877 -3.122 -5.598 1.00 0.00 C ATOM 1097 CD GLN A 78 6.164 -3.947 -5.665 1.00 0.00 C ATOM 1098 OE1 GLN A 78 7.123 -3.707 -4.951 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.130 -4.930 -6.561 1.00 0.00 N ATOM 0 H GLN A 78 3.696 -0.366 -8.156 1.00 0.00 H new ATOM 0 HA GLN A 78 4.243 -0.596 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.780 -2.409 -7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.515 -2.469 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.879 -2.511 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.017 -3.788 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.294 -5.076 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.940 -5.538 -6.682 1.00 0.00 H new ATOM 1108 N ASN A 79 7.038 -0.084 -7.186 1.00 0.00 N ATOM 1109 CA ASN A 79 8.432 0.296 -7.037 1.00 0.00 C ATOM 1110 C ASN A 79 8.541 1.431 -6.016 1.00 0.00 C ATOM 1111 O ASN A 79 9.173 1.273 -4.973 1.00 0.00 O ATOM 1112 CB ASN A 79 9.011 0.795 -8.362 1.00 0.00 C ATOM 1113 CG ASN A 79 10.410 0.221 -8.600 1.00 0.00 C ATOM 1114 OD1 ASN A 79 11.388 0.633 -8.000 1.00 0.00 O ATOM 1115 ND2 ASN A 79 10.448 -0.751 -9.508 1.00 0.00 N ATOM 0 H ASN A 79 6.705 -0.114 -8.150 1.00 0.00 H new ATOM 0 HA ASN A 79 8.988 -0.582 -6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.352 0.509 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.057 1.884 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.335 -1.199 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.590 -1.048 -9.973 1.00 0.00 H new ATOM 1122 N PHE A 80 7.916 2.549 -6.353 1.00 0.00 N ATOM 1123 CA PHE A 80 7.935 3.709 -5.479 1.00 0.00 C ATOM 1124 C PHE A 80 7.789 3.294 -4.013 1.00 0.00 C ATOM 1125 O PHE A 80 8.642 3.615 -3.186 1.00 0.00 O ATOM 1126 CB PHE A 80 6.741 4.583 -5.870 1.00 0.00 C ATOM 1127 CG PHE A 80 6.535 5.797 -4.961 1.00 0.00 C ATOM 1128 CD1 PHE A 80 5.764 5.689 -3.846 1.00 0.00 C ATOM 1129 CD2 PHE A 80 7.122 6.984 -5.269 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.572 6.815 -3.003 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.931 8.111 -4.426 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.160 8.002 -3.311 1.00 0.00 C ATOM 0 H PHE A 80 7.393 2.676 -7.220 1.00 0.00 H new ATOM 0 HA PHE A 80 8.881 4.240 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.877 4.928 -6.895 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.837 3.974 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.297 4.746 -3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.734 7.070 -6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.959 6.729 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.398 9.054 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.015 8.859 -2.670 1.00 0.00 H new ATOM 1142 N ALA A 81 6.703 2.587 -3.737 1.00 0.00 N ATOM 1143 CA ALA A 81 6.435 2.125 -2.386 1.00 0.00 C ATOM 1144 C ALA A 81 7.627 1.306 -1.886 1.00 0.00 C ATOM 1145 O ALA A 81 8.151 1.564 -0.803 1.00 0.00 O ATOM 1146 CB ALA A 81 5.131 1.326 -2.368 1.00 0.00 C ATOM 0 H ALA A 81 5.999 2.323 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 81 6.308 2.971 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.930 0.980 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.311 1.961 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.221 0.467 -3.034 1.00 0.00 H new ATOM 1152 N ALA A 82 8.021 0.337 -2.698 1.00 0.00 N ATOM 1153 CA ALA A 82 9.141 -0.521 -2.352 1.00 0.00 C ATOM 1154 C ALA A 82 10.332 0.345 -1.936 1.00 0.00 C ATOM 1155 O ALA A 82 10.975 0.077 -0.923 1.00 0.00 O ATOM 1156 CB ALA A 82 9.469 -1.435 -3.534 1.00 0.00 C ATOM 0 H ALA A 82 7.584 0.127 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 82 8.887 -1.161 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.309 -2.079 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.601 -2.050 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.731 -0.829 -4.401 1.00 0.00 H new ATOM 1162 N THR A 83 10.589 1.366 -2.741 1.00 0.00 N ATOM 1163 CA THR A 83 11.692 2.273 -2.469 1.00 0.00 C ATOM 1164 C THR A 83 11.491 2.967 -1.121 1.00 0.00 C ATOM 1165 O THR A 83 12.394 2.983 -0.286 1.00 0.00 O ATOM 1166 CB THR A 83 11.803 3.247 -3.644 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.149 2.418 -4.750 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.993 4.198 -3.505 1.00 0.00 C ATOM 0 H THR A 83 10.053 1.585 -3.581 1.00 0.00 H new ATOM 0 HA THR A 83 12.636 1.735 -2.384 1.00 0.00 H new ATOM 0 HB THR A 83 10.883 3.826 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.347 1.963 -5.082 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.026 4.868 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.886 4.784 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.917 3.621 -3.459 1.00 0.00 H new ATOM 1176 N VAL A 84 10.301 3.525 -0.950 1.00 0.00 N ATOM 1177 CA VAL A 84 9.970 4.219 0.283 1.00 0.00 C ATOM 1178 C VAL A 84 10.221 3.288 1.471 1.00 0.00 C ATOM 1179 O VAL A 84 10.976 3.626 2.381 1.00 0.00 O ATOM 1180 CB VAL A 84 8.532 4.737 0.222 1.00 0.00 C ATOM 1181 CG1 VAL A 84 8.066 5.223 1.596 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.391 5.841 -0.828 1.00 0.00 C ATOM 0 H VAL A 84 9.554 3.510 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 84 10.610 5.092 0.414 1.00 0.00 H new ATOM 0 HB VAL A 84 7.889 3.908 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.041 5.586 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.111 4.399 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.714 6.031 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.359 6.192 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.051 6.671 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.663 5.448 -1.808 1.00 0.00 H new ATOM 1192 N LEU A 85 9.573 2.134 1.424 1.00 0.00 N ATOM 1193 CA LEU A 85 9.715 1.151 2.485 1.00 0.00 C ATOM 1194 C LEU A 85 11.201 0.861 2.709 1.00 0.00 C ATOM 1195 O LEU A 85 11.601 0.457 3.800 1.00 0.00 O ATOM 1196 CB LEU A 85 8.885 -0.096 2.175 1.00 0.00 C ATOM 1197 CG LEU A 85 7.386 0.130 1.967 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.717 -1.122 1.397 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.718 0.599 3.261 1.00 0.00 C ATOM 0 H LEU A 85 8.948 1.857 0.667 1.00 0.00 H new ATOM 0 HA LEU A 85 9.321 1.542 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.290 -0.564 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.015 -0.807 2.991 1.00 0.00 H new ATOM 0 HG LEU A 85 7.259 0.925 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.652 -0.935 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.169 -1.371 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.852 -1.954 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.653 0.752 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.853 -0.157 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.171 1.536 3.585 1.00 0.00 H new ATOM 1211 N ARG A 86 11.978 1.079 1.658 1.00 0.00 N ATOM 1212 CA ARG A 86 13.411 0.846 1.726 1.00 0.00 C ATOM 1213 C ARG A 86 14.126 2.089 2.258 1.00 0.00 C ATOM 1214 O ARG A 86 15.223 1.992 2.807 1.00 0.00 O ATOM 1215 CB ARG A 86 13.977 0.489 0.350 1.00 0.00 C ATOM 1216 CG ARG A 86 13.724 -0.983 0.018 1.00 0.00 C ATOM 1217 CD ARG A 86 14.943 -1.608 -0.664 1.00 0.00 C ATOM 1218 NE ARG A 86 15.938 -2.016 0.353 1.00 0.00 N ATOM 1219 CZ ARG A 86 17.008 -2.779 0.093 1.00 0.00 C ATOM 1220 NH1 ARG A 86 17.230 -3.221 -1.152 1.00 0.00 N ATOM 1221 NH2 ARG A 86 17.858 -3.099 1.079 1.00 0.00 N ATOM 0 H ARG A 86 11.643 1.414 0.755 1.00 0.00 H new ATOM 0 HA ARG A 86 13.579 0.009 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.519 1.121 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.048 0.691 0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.493 -1.531 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.854 -1.068 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.637 -2.473 -1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.389 -0.893 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 86 15.800 -1.696 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.584 -2.977 -1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.045 -3.802 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.690 -2.762 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.673 -3.680 0.881 1.00 0.00 H new ATOM 1235 N ASN A 87 13.476 3.230 2.077 1.00 0.00 N ATOM 1236 CA ASN A 87 14.036 4.491 2.531 1.00 0.00 C ATOM 1237 C ASN A 87 13.859 4.606 4.046 1.00 0.00 C ATOM 1238 O ASN A 87 14.737 5.115 4.741 1.00 0.00 O ATOM 1239 CB ASN A 87 13.323 5.677 1.880 1.00 0.00 C ATOM 1240 CG ASN A 87 14.142 6.238 0.716 1.00 0.00 C ATOM 1241 OD1 ASN A 87 15.179 6.856 0.893 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.620 5.989 -0.482 1.00 0.00 N ATOM 0 H ASN A 87 12.566 3.307 1.622 1.00 0.00 H new ATOM 0 HA ASN A 87 15.091 4.510 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.342 5.364 1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.157 6.458 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.092 6.322 -1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.748 5.465 -0.560 1.00 0.00 H new ATOM 1249 N THR A 88 12.716 4.126 4.514 1.00 0.00 N ATOM 1250 CA THR A 88 12.412 4.169 5.935 1.00 0.00 C ATOM 1251 C THR A 88 13.650 3.804 6.756 1.00 0.00 C ATOM 1252 O THR A 88 14.606 3.240 6.227 1.00 0.00 O ATOM 1253 CB THR A 88 11.218 3.247 6.191 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.633 1.989 5.665 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.998 3.619 5.346 1.00 0.00 C ATOM 0 H THR A 88 11.989 3.705 3.935 1.00 0.00 H new ATOM 0 HA THR A 88 12.137 5.175 6.251 1.00 0.00 H new ATOM 0 HB THR A 88 10.952 3.283 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.013 1.709 4.960 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.180 2.933 5.567 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.690 4.638 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.253 3.551 4.289 1.00 0.00 H new ATOM 1263 N LYS A 89 13.591 4.141 8.036 1.00 0.00 N ATOM 1264 CA LYS A 89 14.695 3.855 8.936 1.00 0.00 C ATOM 1265 C LYS A 89 14.148 3.268 10.239 1.00 0.00 C ATOM 1266 O LYS A 89 12.958 2.972 10.338 1.00 0.00 O ATOM 1267 CB LYS A 89 15.558 5.103 9.139 1.00 0.00 C ATOM 1268 CG LYS A 89 16.196 5.548 7.822 1.00 0.00 C ATOM 1269 CD LYS A 89 17.710 5.329 7.844 1.00 0.00 C ATOM 1270 CE LYS A 89 18.152 4.435 6.684 1.00 0.00 C ATOM 1271 NZ LYS A 89 19.316 5.029 5.988 1.00 0.00 N ATOM 0 H LYS A 89 12.796 4.609 8.471 1.00 0.00 H new ATOM 0 HA LYS A 89 15.356 3.105 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.947 5.910 9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.337 4.896 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.757 4.991 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.980 6.602 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.221 6.290 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.001 4.873 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.411 3.445 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.328 4.305 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.604 4.410 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.057 5.964 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.106 5.130 6.657 1.00 0.00 H new ATOM 1285 N GLY A 90 15.042 3.118 11.205 1.00 0.00 N ATOM 1286 CA GLY A 90 14.663 2.572 12.497 1.00 0.00 C ATOM 1287 C GLY A 90 13.145 2.615 12.687 1.00 0.00 C ATOM 1288 O GLY A 90 12.455 1.629 12.432 1.00 0.00 O ATOM 0 H GLY A 90 16.028 3.365 11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.014 1.543 12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.149 3.138 13.292 1.00 0.00 H new ATOM 1292 N ASN A 91 12.669 3.769 13.133 1.00 0.00 N ATOM 1293 CA ASN A 91 11.246 3.954 13.360 1.00 0.00 C ATOM 1294 C ASN A 91 10.556 4.250 12.027 1.00 0.00 C ATOM 1295 O ASN A 91 11.081 4.999 11.205 1.00 0.00 O ATOM 1296 CB ASN A 91 10.987 5.133 14.299 1.00 0.00 C ATOM 1297 CG ASN A 91 9.492 5.290 14.582 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.823 6.165 14.057 1.00 0.00 O ATOM 1299 ND2 ASN A 91 9.006 4.396 15.439 1.00 0.00 N ATOM 0 H ASN A 91 13.244 4.585 13.343 1.00 0.00 H new ATOM 0 HA ASN A 91 10.855 3.042 13.811 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.524 4.982 15.235 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.375 6.049 13.854 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.018 4.417 15.693 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.621 3.689 15.842 1.00 0.00 H new ATOM 1306 N VAL A 92 9.389 3.646 11.854 1.00 0.00 N ATOM 1307 CA VAL A 92 8.622 3.836 10.635 1.00 0.00 C ATOM 1308 C VAL A 92 7.133 3.902 10.980 1.00 0.00 C ATOM 1309 O VAL A 92 6.616 3.037 11.686 1.00 0.00 O ATOM 1310 CB VAL A 92 8.954 2.731 9.630 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.274 2.991 8.284 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.467 2.580 9.461 1.00 0.00 C ATOM 0 H VAL A 92 8.956 3.025 12.538 1.00 0.00 H new ATOM 0 HA VAL A 92 8.888 4.780 10.160 1.00 0.00 H new ATOM 0 HB VAL A 92 8.566 1.792 10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.527 2.191 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.193 3.024 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.617 3.944 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.676 1.788 8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.888 3.518 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.917 2.326 10.421 1.00 0.00 H new ATOM 1322 N ARG A 93 6.485 4.938 10.467 1.00 0.00 N ATOM 1323 CA ARG A 93 5.065 5.129 10.712 1.00 0.00 C ATOM 1324 C ARG A 93 4.254 4.713 9.483 1.00 0.00 C ATOM 1325 O ARG A 93 4.443 5.258 8.397 1.00 0.00 O ATOM 1326 CB ARG A 93 4.756 6.589 11.050 1.00 0.00 C ATOM 1327 CG ARG A 93 4.800 6.824 12.561 1.00 0.00 C ATOM 1328 CD ARG A 93 6.215 7.182 13.019 1.00 0.00 C ATOM 1329 NE ARG A 93 6.382 8.653 13.042 1.00 0.00 N ATOM 1330 CZ ARG A 93 7.569 9.274 13.035 1.00 0.00 C ATOM 1331 NH1 ARG A 93 8.701 8.557 13.007 1.00 0.00 N ATOM 1332 NH2 ARG A 93 7.625 10.613 13.057 1.00 0.00 N ATOM 0 H ARG A 93 6.917 5.654 9.883 1.00 0.00 H new ATOM 0 HA ARG A 93 4.788 4.505 11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.477 7.241 10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.771 6.854 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.113 7.627 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.461 5.929 13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.400 6.771 14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.948 6.735 12.347 1.00 0.00 H new ATOM 0 HE ARG A 93 5.541 9.229 13.065 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.659 7.538 12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.605 9.030 13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.764 11.159 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.529 11.086 13.052 1.00 0.00 H new ATOM 1346 N PHE A 94 3.367 3.752 9.697 1.00 0.00 N ATOM 1347 CA PHE A 94 2.526 3.257 8.620 1.00 0.00 C ATOM 1348 C PHE A 94 1.057 3.601 8.870 1.00 0.00 C ATOM 1349 O PHE A 94 0.490 3.214 9.890 1.00 0.00 O ATOM 1350 CB PHE A 94 2.684 1.736 8.592 1.00 0.00 C ATOM 1351 CG PHE A 94 4.101 1.263 8.259 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.507 1.191 6.963 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.954 0.915 9.259 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.821 0.753 6.654 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.269 0.477 8.950 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.675 0.405 7.654 1.00 0.00 C ATOM 0 H PHE A 94 3.212 3.303 10.600 1.00 0.00 H new ATOM 0 HA PHE A 94 2.823 3.714 7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.397 1.333 9.563 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.992 1.323 7.858 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.829 1.467 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.631 0.972 10.288 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.143 0.696 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.947 0.201 9.744 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.675 0.072 7.419 1.00 0.00 H new ATOM 1366 N VAL A 95 0.482 4.325 7.921 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.911 4.726 8.026 1.00 0.00 C ATOM 1368 C VAL A 95 -1.785 3.717 7.278 1.00 0.00 C ATOM 1369 O VAL A 95 -1.978 3.834 6.069 1.00 0.00 O ATOM 1370 CB VAL A 95 -1.083 6.159 7.517 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.510 6.396 7.019 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.704 7.173 8.597 1.00 0.00 C ATOM 0 H VAL A 95 0.955 4.644 7.076 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.231 4.725 9.068 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.406 6.299 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.605 7.422 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.730 5.707 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.213 6.228 7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.835 8.183 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.344 7.033 9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.337 7.027 8.884 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.289 2.748 8.028 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.138 1.720 7.451 1.00 0.00 C ATOM 1384 C ILE A 96 -4.554 2.271 7.278 1.00 0.00 C ATOM 1385 O ILE A 96 -5.010 3.085 8.080 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.074 0.441 8.288 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.651 0.183 8.788 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.634 -0.752 7.510 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.626 0.444 7.682 1.00 0.00 C ATOM 0 H ILE A 96 -2.126 2.653 9.030 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.780 1.443 6.459 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.704 0.576 9.167 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.440 0.825 9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.564 -0.847 9.134 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.577 -1.648 8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.674 -0.559 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.051 -0.900 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.377 0.253 8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.825 -0.217 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.699 1.481 7.356 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.212 1.806 6.225 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.567 2.243 5.936 1.00 0.00 C ATOM 1403 C GLY A 97 -7.544 1.067 5.988 1.00 0.00 C ATOM 1404 O GLY A 97 -7.616 0.273 5.051 1.00 0.00 O ATOM 0 H GLY A 97 -4.831 1.131 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.869 3.004 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.601 2.706 4.950 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.273 0.992 7.092 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.243 -0.074 7.278 1.00 0.00 C ATOM 1410 C ARG A 98 -10.656 0.439 6.996 1.00 0.00 C ATOM 1411 O ARG A 98 -10.915 1.638 7.091 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.184 -0.629 8.703 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.945 -2.141 8.693 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.635 -2.493 9.399 1.00 0.00 C ATOM 1415 NE ARG A 98 -6.996 -3.650 8.733 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.501 -4.891 8.734 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.655 -5.144 9.367 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.852 -5.879 8.103 1.00 0.00 N ATOM 0 H ARG A 98 -8.211 1.652 7.867 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.997 -0.873 6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.386 -0.135 9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.117 -0.408 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.775 -2.647 9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.917 -2.502 7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.962 -1.636 9.382 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.828 -2.727 10.446 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.116 -3.493 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.149 -4.392 9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.040 -6.089 9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.973 -5.686 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.236 -6.824 8.104 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.533 -0.493 6.654 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.913 -0.150 6.357 1.00 0.00 C ATOM 1434 C GLU A 99 -13.795 -0.387 7.585 1.00 0.00 C ATOM 1435 O GLU A 99 -13.720 -1.442 8.213 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.427 -0.940 5.152 1.00 0.00 C ATOM 1437 CG GLU A 99 -14.957 -0.984 5.138 1.00 0.00 C ATOM 1438 CD GLU A 99 -15.471 -1.798 3.948 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -14.781 -2.778 3.591 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -16.541 -1.422 3.423 1.00 0.00 O ATOM 0 H GLU A 99 -11.314 -1.486 6.576 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.957 0.909 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.064 -0.483 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.031 -1.955 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.320 -1.423 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.353 0.030 5.088 1.00 0.00 H new